Molecule

ID:37965

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClN
Molecular Mass
181.66198
Exact Mass
181.06582707
Charge
0
InChI
InChI=1S/C10H12ClN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2
InChIKey
AFXDPDJNNABZGP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1C1CCCN1
Isomeric Smiles
c1(C2NCCC2)c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6054069
LogD (pH = 7.4)
0.24693212
Log P
2.601204
Molar Refractivity
51.322
Polarizability
20.35471
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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